N-(4-bromo-3-methylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
N-(4-bromo-3-methylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E523-0146 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide |
| Molecular Weight: | 454.34 |
| Molecular Formula: | C21 H16 Br N3 O2 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CN1C(c2ccccc2Sc2c1cccn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5946 |
| logD: | 4.5945 |
| logSw: | -4.3198 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.602 |
| InChI Key: | WJAZNWBKDQTMLP-UHFFFAOYSA-N |